BDBM289854 Methyl (4-(3-((2S)-1-(6-chloro-2-oxo-1,2-dihydrospiro[benzo[d][1,3]oxazine-4,3′-pyrrolidin]-1′-yl)-1-oxo-3-phenylpropan-2-yl)ureido)phenyl)carbamate::US10093683, Example 275

SMILES COC(=O)Nc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC3(C2)OC(=O)Nc2ccc(Cl)cc32)cc1

InChI Key InChIKey=IGUKVCNEIQUPGE-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 289854   

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM289854(Methyl (4-(3-((2S)-1-(6-chloro-2-oxo-1,2-dihydrosp...)
Affinity DataKi:  5.00E+3nM ΔG°:  -7.23kcal/molepH: 7.4 T: 2°CAssay Description:The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/23/2019
Entry Details
US Patent